CID 9547023

Schembl13638356

Structural Information

Molecular Formula
C35H70NO8P
SMILES
CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C35H70NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36(3)4)44-35(38)28-26-24-22-20-18-16-14-12-10-8-6-2/h33H,5-32H2,1-4H3,(H,39,40)
InChIKey
ZYCQYQFZMFJHFN-UHFFFAOYSA-N
Compound name
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

663.4839 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.49118 271.5
[M+Na]+ 686.47312 274.3
[M+NH4]+ 681.51772 278.4
[M+K]+ 702.44706 273.9
[M-H]- 662.47662 263.2
[M+Na-2H]- 684.45857 272.0
[M]+ 663.48335 270.7
[M]- 663.48445 270.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe